4-oxidanylidene-4-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]but-2-enoate

Systemtic Name: 4-oxidanylidene-4-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]but-2-enoate Openeye Name: 4-oxo-4-[2-[[5-(trifluoromethyl)-2-pyridyl]amino]ethylamino]but-2-enoate CAS Name: 4-oxo-4-[2-[[5-(trifluoromethyl)-2-pyridinyl]amino]ethylamino]-2-butenoate IUPAC Name: 4-oxo-4-[2-[[5-(trifluoromethyl)pyridin-2-yl]amino]ethylamino]but-2-enoate Traditional Name: 4-keto-4-[2-[[5-(trifluoromethyl)-2-pyridyl]amino]ethylamino]but-2-enoate Formula: C12H11F3N3O3- MolecularWeight: 302.22925

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC=C1C(F)(F)F)NCCNC(=O)C=CC(=O)[O-]

Isomeric SMILES

C1=CC(=NC=C1C(F)(F)F)NCCNC(=O)C=CC(=O)[O-]

InChI

InChI=1S/C12H12F3N3O3/c13-12(14,15)8-1-2-9(18-7-8)16-5-6-17-10(19)3-4-11(20)21/h1-4,7H,5-6H2,(H,16,18)(H,17,19)(H,20,21)/p-1